SCHEMBL9160396

SCHEMBL9160396

COc1ccc(CCNC(C)CC#N)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
POLB P06746 1/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.50
ABCB1 P08183 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP3A5 P20815 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA5A P35218 1/20 0.49
CA14 Q9ULX7 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9160609 0.92 ATM (0.50) KCNH2POLBATMMAPTKMT2A
SCHEMBL9828864 0.82 KCNH2 (0.61) KCNH2POLBATMMAPTKMT2A
SCHEMBL9828855 0.82 KCNH2 (0.61) KCNH2POLBATMMAPTKMT2A
SCHEMBL1969068 0.82 ATM (0.67) KCNH2POLBATMMAPTKMT2A
SCHEMBL9160205 0.80 ATM (0.59) KCNH2POLBATMMAPTKMT2A
SCHEMBL6094958 0.79 SIGMAR1 (0.65) KCNH2POLBATM
SCHEMBL6093694 0.79 SIGMAR1 (0.65) KCNH2POLBATM
SCHEMBL9164083 0.78 HTT (0.78) KCNH2POLBATMMAPTKMT2A
SCHEMBL9164074 0.78 HTT (0.78) KCNH2POLBATMMAPTKMT2A
SCHEMBL11739917 0.78 ATM (0.61) POLBATMMAPTKMT2AABCB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430059-A Treating heart disease EISAI CO., LTD. (JP) 1995-07-04 US disclosed
EP-0399358-B1 Butenoic acid derivatives EISAI CO LTD (JP) 1995-03-08 EP disclosed
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP disclosed